Dipankar Roy

According to our database, Dipankar Roy authored at least 5 papers between 2019 and 2021.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2021

Predicting PAMPA permeability using the 3D-RISM-KH theory: are we there yet?

Dipankar Roy, Devjyoti Dutta, David S. Wishart, Andriy Kovalenko

J. Comput. Aided Mol. Des., 2021

2019

Application of the 3D-RISM-KH molecular solvation theory for DMSO as solvent.

Dipankar Roy, Andriy Kovalenko

J. Comput. Aided Mol. Des., 2019

Prediction of P-glycoprotein inhibitors with machine learning classification models and 3D-RISM-KH theory based solvation energy descriptors.

Vijaya Kumar Hinge, Dipankar Roy, Andriy Kovalenko

J. Comput. Aided Mol. Des., 2019

Predicting skin permeability using the 3D-RISM-KH theory based solvation energy descriptors for a diverse class of compounds.

Vijaya Kumar Hinge, Dipankar Roy, Andriy Kovalenko

J. Comput. Aided Mol. Des., 2019

The role of hydration effects in 5-fluorouridine binding to SOD1: insight from a new 3D-RISM-KH based protocol for including structural water in docking simulations.

Vijaya Kumar Hinge, Nikolay Blinov, Dipankar Roy, David S. Wishart, Andriy Kovalenko

J. Comput. Aided Mol. Des., 2019